N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine

C15H21N3O — CID 106563145

IUPACN-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
SMILESCOCCNc1nc(C)cn1Cc1ccccc1C
InChIInChI=1S/C15H21N3O/c1-12-6-4-5-7-14(12)11-18-10-13(2)17-15(18)16-8-9-19-3/h4-7,10H,8-9,11H2,1-3H3,(H,16,17)
InChIKeyMVPVDKXQBMHFFE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds6

About N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine

N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine (PubChem CID 106563145) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
PubChem CID106563145
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
SMILESCOCCNc1nc(C)cn1Cc1ccccc1C
InChIInChI=1S/C15H21N3O/c1-12-6-4-5-7-14(12)11-18-10-13(2)17-15(18)16-8-9-19-3/h4-7,10H,8-9,11H2,1-3H3,(H,16,17)
InChIKeyMVPVDKXQBMHFFE-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine (CID 106563145) is N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine is COCCNc1nc(C)cn1Cc1ccccc1C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is MVPVDKXQBMHFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-6-4-5-7-14(12)11-18-10-13(2)17-15(18)16-8-9-19-3/h4-7,10H,8-9,11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine?
N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106563145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).